REMARK Name = BDB019591 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.927 -1.309 -0.853 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.802 -2.400 -0.766 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -3.017 -2.296 -0.073 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -3.349 -1.068 0.524 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.490 0.039 0.437 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.280 -0.090 -0.263 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.930 -3.441 0.020 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.707 -4.537 0.875 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -2.495 -4.619 1.763 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -4.632 -5.589 0.882 0.00 0.00 +0.023 A ATOM 11 C LIG 1 -5.746 -5.512 0.061 0.00 0.00 +0.111 A ATOM 12 N LIG 1 -6.000 -4.476 -0.760 0.00 0.00 -0.263 NA ATOM 13 C LIG 1 -5.088 -3.475 -0.763 0.00 0.00 +0.119 A ENDBRANCH 3 7 BRANCH 1 16 ATOM 14 N LIG 1 1.394 -0.673 -1.232 0.00 0.00 -0.305 N ATOM 15 H LIG 1 1.328 -0.141 -0.375 0.00 0.00 +0.150 HD ATOM 16 C LIG 1 0.346 -1.484 -1.605 0.00 0.00 +0.245 C ATOM 17 O LIG 1 0.428 -2.336 -2.482 0.00 0.00 -0.270 OA BRANCH 14 18 ATOM 18 C LIG 1 2.711 -0.797 -1.838 0.00 0.00 +0.101 C ATOM 19 C LIG 1 2.737 -0.209 -3.252 0.00 0.00 +0.033 C BRANCH 18 22 ATOM 20 C LIG 1 4.726 1.814 0.127 0.00 0.00 +0.124 A ATOM 21 C LIG 1 3.781 1.234 -0.725 0.00 0.00 +0.051 A ATOM 22 C LIG 1 3.747 -0.152 -0.936 0.00 0.00 -0.021 A ATOM 23 C LIG 1 4.680 -0.948 -0.258 0.00 0.00 +0.051 A ATOM 24 C LIG 1 5.632 -0.381 0.595 0.00 0.00 +0.124 A ATOM 25 C LIG 1 5.653 1.003 0.785 0.00 0.00 +0.091 A BRANCH 20 27 ATOM 26 C LIG 1 5.574 3.831 1.069 0.00 0.00 +0.277 C ATOM 27 O LIG 1 4.631 3.176 0.229 0.00 0.00 -0.495 OA ENDBRANCH 20 27 BRANCH 24 28 ATOM 28 O LIG 1 6.475 -1.287 1.181 0.00 0.00 -0.495 OA ATOM 29 C LIG 1 7.481 -0.773 2.044 0.00 0.00 +0.277 C ENDBRANCH 24 28 ENDBRANCH 18 22 ENDBRANCH 14 18 ENDBRANCH 1 16 BRANCH 5 30 ATOM 30 C LIG 1 -2.870 1.363 1.058 0.00 0.00 +0.139 C BRANCH 30 31 ATOM 31 N LIG 1 -3.196 2.304 0.005 0.00 0.00 -0.313 N ATOM 32 H LIG 1 -3.832 1.921 -0.684 0.00 0.00 +0.149 HD BRANCH 31 33 ATOM 33 C LIG 1 -3.481 3.586 0.318 0.00 0.00 +0.176 C ATOM 34 N LIG 1 -3.983 4.307 -0.718 0.00 0.00 -0.316 N ATOM 35 H LIG 1 -3.525 4.116 -1.601 0.00 0.00 +0.149 HD ATOM 36 C LIG 1 -3.961 5.697 -0.309 0.00 0.00 +0.127 C ATOM 37 C LIG 1 -3.794 5.568 1.208 0.00 0.00 +0.163 C ATOM 38 N LIG 1 -3.301 4.185 1.457 0.00 0.00 -0.255 NA ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 9